(E)-2-(3-chlorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile

Formula:C17H15N2O2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-(3-chlorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(3-chlorophenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enenitrile
MolecularFormula	C17H15N2O2Cl
Smiles	N#C/C(/c1cccc(Cl)c1)=C/c1ccc(N2CCOCC2)o1
InChI	InChI=1S/C17H15ClN2O2/c18-15-3-1-2-13(10-15)14(12-19)11-16-4-5-17(22-16)20-6-8-21-9-7-20/h1-5,10-11H,6-9H2
InChIK	RJSDJCKDCLYSEP-UHFFFAOYSA-N
TotalMolweight	314.771
Molweight	314.771
MonoisotopicMass	314.082205
CLogP	3.1477
CLogS	-4.675
H Acceptors	4
TotalSurfaceArea	246.39
Relative PSA	0.1673
PolarSurfaceArea	49.4
Druglikeness	-1.5797
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
StereoCon

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